(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H25N5O3 — CID 3234340

IUPAC(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1
InChIInChI=1S/C21H25N5O3/c1-29-17-5-3-16(4-6-17)24-20(28)26-12-8-21(15-26)7-2-11-25(14-21)19(27)18-13-22-9-10-23-18/h3-6,9-10,13H,2,7-8,11-12,14-15H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyKFBLAWNECUGGPB-OAQYLSRUSA-N
MW395.46 g/mol
LogP2.65
Rot. Bonds3

About (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234340) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234340
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1
InChIInChI=1S/C21H25N5O3/c1-29-17-5-3-16(4-6-17)24-20(28)26-12-8-21(15-26)7-2-11-25(14-21)19(27)18-13-22-9-10-23-18/h3-6,9-10,13H,2,7-8,11-12,14-15H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyKFBLAWNECUGGPB-OAQYLSRUSA-N
XLogP2.65
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234340) is (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1.
What is the InChIKey of (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is KFBLAWNECUGGPB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-29-17-5-3-16(4-6-17)24-20(28)26-12-8-21(15-26)7-2-11-25(14-21)19(27)18-13-22-9-10-23-18/h3-6,9-10,13H,2,7-8,11-12,14-15H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-methoxyphenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).